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Chemical ID: 4118813
Chemical ID:
4118813
Name [?]:
1-[(2,6-dimethoxyphenyl)methyl]-N-methyl-piperidin-4-amine
SMILES [?]:
CNC1CCN(CC1)Cc2c(cccc2OC)OC
InChi [?]:
InChI=1/C15H24N2O2/c1-16-12-7-9-17(10-8-12)11-13-14(18-2)5-4-6-15(13)19-3/h4-6,12,16H,7-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,19,13,14,12,4,8,5,7,9,3,10,15,11,2,6,16,18/E:(2,3)(5,6)(7,8)(9,10)(14,15)(18,19)/rA:19nCNCCCNCCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;s9;s10;d11;s12;d13;d10s14;s15;s16;s11;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.21396 |
Area: | 453.341 |
Solvation: | -4.11958 |
Coulombic: | -28.0712 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 264.363 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.76 |
LogP (Chemaxon): | 1.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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